2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]benzamide

C24H25ClN2O5S — CID 43009499

IUPAC2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]benzamide
SMILESCOc1ccccc1OCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1Cl
InChIInChI=1S/C24H25ClN2O5S/c1-16-8-9-18(14-17(16)2)27-33(29,30)19-10-11-21(25)20(15-19)24(28)26-12-13-32-23-7-5-4-6-22(23)31-3/h4-11,14-15,27H,12-13H2,1-3H3,(H,26,28)
InChIKeyZUNBLJYXMCLPEJ-UHFFFAOYSA-N
MW488.99 g/mol
LogP4.58
Rot. Bonds9

About 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]benzamide

2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]benzamide (PubChem CID 43009499) has the molecular formula C24H25ClN2O5S and a molecular weight of 488.99 g/mol. Its IUPAC name is 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]benzamide
PubChem CID43009499
Molecular FormulaC24H25ClN2O5S
Molecular Weight488.99 g/mol
Exact Mass488.12
IUPAC Name2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]benzamide
SMILESCOc1ccccc1OCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1Cl
InChIInChI=1S/C24H25ClN2O5S/c1-16-8-9-18(14-17(16)2)27-33(29,30)19-10-11-21(25)20(15-19)24(28)26-12-13-32-23-7-5-4-6-22(23)31-3/h4-11,14-15,27H,12-13H2,1-3H3,(H,26,28)
InChIKeyZUNBLJYXMCLPEJ-UHFFFAOYSA-N
XLogP4.58
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.99
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26778075
2-chloro-N-[2-(2-methoxyphenoxy)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46558858
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26676882
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide
CID 43006083
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 55947799
5-[(2-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-2-methylbenzamide
CID 4781193
2-chloro-N-[2-(3-fluorophenoxy)ethyl]-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 55657410
N-[2-(2-methoxyphenoxy)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 38452304
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide
CID 37148868
N-[4-(2-amino-2-oxoethyl)phenyl]-2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 31855172
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 17497543
5-[(2-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119502214

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]benzamide?
The IUPAC name of 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]benzamide (CID 43009499) is 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]benzamide.
What is the SMILES notation for 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]benzamide?
The canonical SMILES for 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]benzamide is COc1ccccc1OCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]benzamide?
The InChIKey is ZUNBLJYXMCLPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O5S/c1-16-8-9-18(14-17(16)2)27-33(29,30)19-10-11-21(25)20(15-19)24(28)26-12-13-32-23-7-5-4-6-22(23)31-3/h4-11,14-15,27H,12-13H2,1-3H3,(H,26,28).
What are the key properties of 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]benzamide?
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]benzamide has a molecular weight of 488.99 g/mol, XLogP of 4.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]benzamide is sourced from PubChem (CID 43009499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).